#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x3h s SER 2 N 0.00 -0.62 0.06 1.61 0.01 -1.26 -5.17 113.70 108.32 1x3h s SER 2 Ca 0.00 1.13 -0.28 0.00 1.31 0.00 0.00 55.95 58.12 1x3h s SER 2 Cb 0.00 1.10 0.09 0.00 0.21 0.00 0.00 66.02 67.42 1x3h s SER 2 CO 0.00 -0.20 0.96 -0.55 0.41 0.00 0.00 173.24 173.86 1x3h s SER 3 N 0.70 -0.25 0.00 2.44 0.15 -1.26 -5.14 113.70 110.35 1x3h s SER 3 Ca -0.03 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.43 1x3h s SER 3 Cb -0.05 0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 1x3h s SER 3 CO -0.05 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 174.30 1x3h n GLY 4 N -0.36 2.17 3.62 9.45 0.00 -1.26 -5.17 105.19 113.65 1x3h n GLY 4 Ca -0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 46.02 45.28 1x3h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 5 N 0.00 -1.04 0.09 1.61 0.01 -1.26 -5.17 113.70 107.94 1x3h s SER 5 Ca 0.00 1.46 -0.00 0.00 1.31 0.00 0.00 55.95 58.72 1x3h s SER 5 Cb 0.00 2.06 -0.04 0.00 0.21 0.00 0.00 66.02 68.25 1x3h s SER 5 CO 0.00 -0.21 -0.01 -0.55 0.41 0.00 0.00 173.24 172.88 1x3h s SER 6 N 2.60 0.62 0.00 2.44 0.15 -1.26 -5.00 113.70 113.26 1x3h s SER 6 Ca -0.06 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.52 1x3h s SER 6 Cb -0.10 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1x3h s SER 6 CO -0.19 -0.61 0.00 0.61 1.20 0.00 0.00 173.24 174.26 1x3h n GLY 7 N -0.00 0.87 0.07 9.45 0.00 -1.26 -5.07 105.19 109.25 1x3h n GLY 7 Ca -0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 1x3h n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3h h LYS 8 N 0.00 0.00 -3.09 1.61 1.79 -2.08 -3.42 116.57 111.37 1x3h h LYS 8 Ca 0.00 0.00 -0.62 0.00 -2.18 0.00 0.00 60.65 57.85 1x3h h LYS 8 Cb 0.00 0.00 -0.41 0.00 -1.58 0.00 0.00 32.23 30.24 1x3h h LYS 8 CO 0.00 0.70 -0.66 0.16 -1.08 0.00 0.00 179.45 178.57 1x3h s ASP 9 N -6.16 4.09 1.20 0.86 -4.77 -1.26 -5.11 116.67 105.52 1x3h s ASP 9 Ca -0.16 -3.25 -0.15 0.00 -3.30 0.00 0.00 52.55 45.69 1x3h s ASP 9 Cb -0.00 -1.39 0.29 0.00 -1.09 0.00 0.00 42.92 40.73 1x3h s ASP 9 CO 0.48 -0.18 1.02 -0.36 0.70 0.00 0.00 175.17 176.84 1x3h s PHE 10 N -0.55 1.08 -0.60 2.11 0.08 -1.26 -4.76 117.98 114.07 1x3h s PHE 10 Ca 0.22 0.98 -0.29 0.00 0.12 0.00 0.00 56.93 57.96 1x3h s PHE 10 Cb -0.15 -3.10 -0.12 0.00 -0.57 0.00 0.00 43.02 39.08 1x3h s PHE 10 CO -0.08 -3.98 2.45 1.28 -0.10 0.00 0.00 175.22 174.79 1x3h n LEU 11 N -4.96 1.73 -0.07 -0.37 4.77 -1.26 -4.71 117.00 112.12 1x3h n LEU 11 Ca 0.05 -0.11 -0.15 0.00 -0.03 0.00 0.00 56.01 55.76 1x3h n LEU 11 Cb 0.56 -1.33 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 1x3h n LEU 11 CO 0.55 -1.14 -0.99 0.00 -1.33 0.00 0.00 177.39 174.47 1x3h n ALA 12 N 13.08 2.07 -2.80 -1.18 0.00 -1.26 -5.00 120.51 125.42 1x3h n ALA 12 Ca 0.46 -0.57 -0.35 0.00 0.00 0.00 0.00 53.44 52.97 1x3h n ALA 12 Cb 0.33 0.31 -0.08 0.00 0.00 0.00 0.00 19.45 20.02 1x3h n ALA 12 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1x3h s MET 13 N -2.26 3.70 -0.24 0.00 -1.94 -1.26 -5.09 119.30 112.21 1x3h s MET 13 Ca -0.20 -0.27 0.01 0.00 -1.71 0.00 0.00 55.69 53.53 1x3h s MET 13 Cb 0.08 -3.18 0.04 0.00 2.01 0.00 0.00 34.83 33.78 1x3h s MET 13 CO 0.25 0.50 -0.12 -0.06 -0.01 0.00 0.00 175.02 175.58 1x3h s PHE 14 N -0.25 3.12 0.04 -0.03 0.08 -1.26 -5.10 117.98 114.57 1x3h s PHE 14 Ca 0.09 -2.01 -0.11 0.00 0.12 0.00 0.00 56.93 55.03 1x3h s PHE 14 Cb -0.12 -1.96 0.01 0.00 -0.57 0.00 0.00 43.02 40.38 1x3h s PHE 14 CO 0.01 -0.83 0.22 -1.12 -0.10 0.00 0.00 175.22 173.40 1x3h s SER 15 N 1.19 -0.02 1.01 1.36 0.01 -1.26 -5.17 113.70 110.83 1x3h s SER 15 Ca -0.04 -0.29 -0.12 0.00 1.31 0.00 0.00 55.95 56.81 1x3h s SER 15 Cb -0.18 0.30 0.20 0.00 0.21 0.00 0.00 66.02 66.55 1x3h s SER 15 CO -0.07 -0.55 1.09 -2.16 0.41 0.00 0.00 173.24 171.96 1x3h s PRO 16 N -2.42 0.32 0.02 12.44 0.04 -1.26 -4.97 135.00 139.17 1x3h s PRO 16 Ca -0.06 0.49 -0.01 0.00 0.04 0.00 0.00 61.00 61.46 1x3h s PRO 16 Cb -0.02 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.78 1x3h s PRO 16 CO -0.03 -2.80 -0.01 0.15 0.04 0.00 0.00 177.00 174.35 1x3h s LYS 17 N -4.97 0.34 0.24 4.56 1.02 -1.26 -3.39 119.74 116.29 1x3h s LYS 17 Ca 0.66 -0.60 -0.30 0.00 0.02 0.00 0.00 55.97 55.75 1x3h s LYS 17 Cb -0.19 0.12 -0.15 0.00 -0.52 0.00 0.00 37.83 37.10 1x3h s LYS 17 CO 0.58 -0.06 1.10 0.00 -0.92 0.00 0.00 175.35 176.04 1x3h n GLY 19 N 1.58 2.31 2.04 0.00 0.00 -1.14 -2.00 105.19 107.99 1x3h n GLY 19 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1x3h n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x3h n GLY 20 N 1.38 -0.55 0.01 -0.02 0.00 -1.26 -4.92 105.19 99.83 1x3h n GLY 20 Ca 0.00 0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1x3h n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x3h n ASN 22 N -1.46 -5.39 -4.63 0.00 3.02 -0.85 -4.99 115.26 100.96 1x3h n ASN 22 Ca 0.04 -0.49 -0.30 0.00 -0.03 0.00 0.00 54.58 53.80 1x3h n ASN 22 Cb 0.33 -4.53 -0.09 0.00 -0.61 0.00 0.00 39.78 34.88 1x3h n ASN 22 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1x3h s ARG 23 N -6.04 2.39 -0.41 3.52 0.52 -1.26 -4.82 118.95 112.85 1x3h s ARG 23 Ca 0.45 -0.89 -0.28 0.00 -0.52 0.00 0.00 55.73 54.49 1x3h s ARG 23 Cb -0.20 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.81 1x3h s ARG 23 CO 0.65 0.54 1.73 -1.25 0.02 0.00 0.00 175.30 176.99 1x3h s PRO 24 N -2.14 3.23 -0.02 3.54 0.04 -1.26 -0.80 135.00 137.60 1x3h s PRO 24 Ca 0.23 1.15 -0.22 0.00 0.04 0.00 0.00 61.00 62.19 1x3h s PRO 24 Cb -0.11 -4.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 1x3h s PRO 24 CO 0.15 -1.99 0.66 0.14 0.04 0.00 0.00 177.00 176.00 1x3h s VAL 25 N 7.07 4.92 0.09 -0.36 -7.23 -1.22 -4.92 120.40 118.74 1x3h s VAL 25 Ca 0.73 1.37 0.00 0.00 -1.81 0.00 0.00 61.98 62.27 1x3h s VAL 25 Cb -0.18 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.76 1x3h s VAL 25 CO 0.31 0.36 0.00 0.18 -0.31 0.00 0.00 175.10 175.63 1x3h n LEU 26 N 3.08 0.14 -4.57 1.32 4.32 -1.26 -4.85 117.00 115.18 1x3h n LEU 26 Ca -0.04 0.14 -0.34 0.00 -0.02 0.00 0.00 56.01 55.75 1x3h n LEU 26 Cb 0.51 0.04 -0.11 0.00 -1.62 0.00 0.00 43.42 42.24 1x3h n LEU 26 CO 0.45 -0.49 -0.37 -1.83 -1.22 0.00 0.00 177.39 173.93 1x3h s GLU 27 N -2.00 2.88 -1.17 3.23 4.04 -1.26 -4.62 118.70 119.80 1x3h s GLU 27 Ca 0.00 -0.54 -0.00 0.00 0.04 0.00 0.00 54.97 54.47 1x3h s GLU 27 Cb 0.00 -2.64 -0.00 0.00 0.02 0.00 0.00 34.13 31.51 1x3h s GLU 27 CO 0.00 0.61 0.98 0.09 -1.84 0.00 0.00 175.26 175.10 1x3h n ASN 28 N 2.39 -2.25 -4.52 0.83 4.13 -1.26 -5.02 115.26 109.56 1x3h n ASN 28 Ca -0.18 -0.61 -0.26 0.00 1.68 0.00 0.00 54.58 55.20 1x3h n ASN 28 Cb 0.53 -5.05 -0.10 0.00 -1.54 0.00 0.00 39.78 33.62 1x3h n ASN 28 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 1x3h s TYR 29 N -3.36 2.51 0.41 3.10 1.13 -1.26 -4.11 117.35 115.78 1x3h s TYR 29 Ca 0.02 -0.27 0.08 0.00 -1.41 0.00 0.00 57.07 55.49 1x3h s TYR 29 Cb -0.00 -1.22 -0.02 0.00 -1.10 0.00 0.00 41.96 39.62 1x3h s TYR 29 CO 0.72 0.53 0.39 -0.51 -2.51 0.00 0.00 175.55 174.16 1x3h s LEU 30 N -2.87 3.41 -0.32 -3.49 1.02 -0.82 -4.93 118.68 110.68 1x3h s LEU 30 Ca 0.24 -0.72 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 1x3h s LEU 30 Cb -0.08 -2.09 0.11 0.00 0.02 0.00 0.00 46.19 44.14 1x3h s LEU 30 CO 0.14 -0.65 0.13 -0.44 0.02 0.00 0.00 176.35 175.54 1x3h s SER 31 N -4.14 3.79 0.13 2.29 0.01 -1.26 -1.71 113.70 112.82 1x3h s SER 31 Ca 0.48 -1.67 0.05 0.00 1.31 0.00 0.00 55.95 56.12 1x3h s SER 31 Cb -0.04 -0.71 -0.04 0.00 0.21 0.00 0.00 66.02 65.45 1x3h s SER 31 CO 0.28 -0.40 -0.12 0.00 0.41 0.00 0.00 173.24 173.41 1x3h s ALA 32 N 1.60 1.40 -1.49 1.44 0.00 0.24 -4.83 121.76 120.12 1x3h s ALA 32 Ca 0.11 -1.36 -0.04 0.00 0.00 0.00 0.00 51.96 50.68 1x3h s ALA 32 Cb -0.18 -0.00 0.03 0.00 0.00 0.00 0.00 23.12 22.97 1x3h s ALA 32 CO -0.24 -0.01 0.40 -1.33 0.00 0.00 0.00 175.76 174.58 1x3h n MET 33 N 0.23 -2.78 -2.19 0.00 2.81 -1.26 0.10 117.12 114.02 1x3h n MET 33 Ca -0.13 0.33 -0.13 0.00 -1.81 0.00 0.00 57.70 55.96 1x3h n MET 33 Cb 0.59 -4.45 -0.02 0.00 -0.71 0.00 0.00 33.22 28.63 1x3h n MET 33 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1x3h n ASP 34 N -2.90 -4.01 -3.27 7.83 8.00 -1.26 -4.90 116.55 116.04 1x3h n ASP 34 Ca -0.24 0.21 -0.16 0.00 0.71 0.00 0.00 54.79 55.30 1x3h n ASP 34 Cb 0.65 -3.47 -0.05 0.00 -0.02 0.00 0.00 41.12 38.23 1x3h n ASP 34 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1x3h s THR 35 N -2.54 0.00 0.20 -3.53 -1.32 0.28 -5.17 115.64 103.56 1x3h s THR 35 Ca 0.00 -1.72 0.06 0.00 -1.21 0.00 0.00 61.69 58.83 1x3h s THR 35 Cb 0.00 -2.61 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 1x3h s THR 35 CO 0.00 0.00 0.12 0.68 -2.21 0.00 0.00 174.62 173.21 1x3h s VAL 36 N -3.15 4.24 0.35 5.08 -7.23 -1.26 0.81 120.40 119.24 1x3h s VAL 36 Ca 0.34 -1.31 0.02 0.00 -1.81 0.00 0.00 61.98 59.22 1x3h s VAL 36 Cb 0.00 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.73 1x3h s VAL 36 CO 0.23 -0.20 0.40 0.26 -0.31 0.00 0.00 175.10 175.47 1x3h s TRP 37 N -1.91 1.42 -0.05 2.82 0.52 -0.69 -2.87 118.94 118.18 1x3h s TRP 37 Ca 0.31 -1.49 -0.01 0.00 0.02 0.00 0.00 56.10 54.93 1x3h s TRP 37 Cb -0.09 -0.37 -0.04 0.00 -1.15 0.00 0.00 33.47 31.83 1x3h s TRP 37 CO 0.23 -1.04 0.03 -1.01 0.02 0.00 0.00 176.95 175.17 1x3h s HIS 38 N -3.14 3.19 -2.00 -1.98 3.76 -1.26 -1.94 115.29 111.92 1x3h s HIS 38 Ca 0.35 0.19 0.00 0.00 -0.15 0.00 0.00 55.06 55.45 1x3h s HIS 38 Cb 0.01 -1.75 0.01 0.00 1.11 0.00 0.00 32.58 31.95 1x3h s HIS 38 CO 0.25 0.50 0.50 -0.35 -0.85 0.00 0.00 174.74 174.79 1x3h n PRO 39 N 1.70 0.49 0.00 8.40 -0.04 -1.26 -1.35 135.00 142.94 1x3h n PRO 39 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1x3h n PRO 39 Cb 0.53 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 1x3h n PRO 39 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1x3h n GLU 40 N -0.51 2.18 -0.03 0.54 0.28 -1.26 -4.84 120.64 117.00 1x3h n GLU 40 Ca 0.00 0.00 -0.21 0.00 -0.16 0.00 0.00 57.16 56.79 1x3h n GLU 40 Cb 0.00 -0.79 -0.13 0.00 1.43 0.00 0.00 31.44 31.95 1x3h n GLU 40 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1x3h n PHE 42 N -4.05 0.70 -3.88 0.00 7.35 -0.45 -4.81 117.46 112.31 1x3h n PHE 42 Ca -0.27 0.18 -0.08 0.00 -0.76 0.00 0.00 57.45 56.52 1x3h n PHE 42 Cb 0.83 -2.02 -0.03 0.00 0.35 0.00 0.00 39.48 38.60 1x3h n PHE 42 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 1x3h s VAL 43 N 8.36 0.00 1.03 -2.13 -7.23 -1.26 -4.15 120.40 115.02 1x3h s VAL 43 Ca 1.21 -1.09 -0.14 0.00 -1.81 0.00 0.00 61.98 60.16 1x3h s VAL 43 Cb -0.78 -1.98 0.13 0.00 0.56 0.00 0.00 36.38 34.31 1x3h s VAL 43 CO 0.41 -0.02 0.60 0.00 -0.31 0.00 0.00 175.10 175.78 1x3h n GLY 45 N 1.25 -1.04 0.03 0.00 0.00 -1.03 -3.38 105.19 101.02 1x3h n GLY 45 Ca 0.06 -0.31 -0.02 0.00 0.00 0.00 0.00 46.02 45.74 1x3h n GLY 45 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x3h n ASP 46 N -2.69 0.67 0.14 1.61 9.92 -1.26 -4.58 116.55 120.36 1x3h n ASP 46 Ca -0.20 0.33 0.02 0.00 -0.53 0.00 0.00 54.79 54.41 1x3h n ASP 46 Cb 0.95 -0.63 0.06 0.00 -0.64 0.00 0.00 41.12 40.87 1x3h n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1x3h n PHE 48 N -3.29 -1.97 -3.72 0.00 3.72 -1.22 -4.96 117.46 106.02 1x3h n PHE 48 Ca 0.01 0.84 -0.27 0.00 -0.05 0.00 0.00 57.45 57.98 1x3h n PHE 48 Cb 0.72 -4.73 -0.03 0.00 -0.94 0.00 0.00 39.48 34.50 1x3h n PHE 48 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1x3h s THR 49 N -3.32 5.22 0.48 4.37 -1.32 -1.26 -4.65 115.64 115.16 1x3h s THR 49 Ca 0.03 -0.42 -0.21 0.00 -1.21 0.00 0.00 61.69 59.88 1x3h s THR 49 Cb -0.01 -3.74 -0.08 0.00 -1.51 0.00 0.00 72.50 67.16 1x3h s THR 49 CO 0.65 -0.18 1.09 -0.55 -2.21 0.00 0.00 174.62 173.42 1x3h s SER 50 N -3.22 6.23 -0.41 8.08 0.15 -1.26 -2.20 113.70 121.07 1x3h s SER 50 Ca 0.38 2.09 0.05 0.00 0.70 0.00 0.00 55.95 59.17 1x3h s SER 50 Cb -0.11 -2.58 0.53 0.00 -1.71 0.00 0.00 66.02 62.16 1x3h s SER 50 CO 0.29 -0.87 1.67 0.49 1.20 0.00 0.00 173.24 176.03 1x3h n PHE 51 N -0.78 2.27 -0.07 3.44 3.72 -1.26 -4.63 117.46 120.15 1x3h n PHE 51 Ca 0.09 -2.04 -0.08 0.00 -0.05 0.00 0.00 57.45 55.37 1x3h n PHE 51 Cb 0.51 -0.79 -0.05 0.00 -0.94 0.00 0.00 39.48 38.20 1x3h n PHE 51 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1x3h h SER 52 N 1.35 0.00 -0.08 4.37 0.87 -1.93 -3.36 113.55 114.77 1x3h h SER 52 Ca 0.43 -0.32 -0.07 0.00 -1.23 0.00 0.00 61.79 60.60 1x3h h SER 52 Cb 1.81 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 63.74 1x3h h SER 52 CO 0.88 0.82 0.03 0.35 -0.53 0.00 0.00 176.83 178.38 1x3h n THR 53 N -4.65 2.21 0.00 2.23 -2.24 -1.26 -4.81 114.28 105.75 1x3h n THR 53 Ca -0.08 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1x3h n THR 53 Cb 0.27 -1.52 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 1x3h n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x3h n GLY 54 N 1.41 2.44 3.80 3.38 0.00 -1.26 -5.16 105.19 109.80 1x3h n GLY 54 Ca 0.08 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 1x3h n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x3h s SER 55 N 0.00 2.18 0.20 1.61 0.01 -1.26 -4.71 113.70 111.72 1x3h s SER 55 Ca 0.00 0.38 0.09 0.00 1.31 0.00 0.00 55.95 57.73 1x3h s SER 55 Cb 0.00 -0.48 -0.05 0.00 0.21 0.00 0.00 66.02 65.70 1x3h s SER 55 CO 0.00 -3.33 -0.17 0.72 0.41 0.00 0.00 173.24 170.87 1x3h s PHE 56 N -3.55 1.88 -0.10 2.43 -0.71 -1.26 -4.83 117.98 111.84 1x3h s PHE 56 Ca 0.73 -0.48 0.03 0.00 -1.04 0.00 0.00 56.93 56.17 1x3h s PHE 56 Cb -0.06 -0.89 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1x3h s PHE 56 CO 0.54 0.41 -0.20 -0.06 -1.34 0.00 0.00 175.22 174.57 1x3h s PHE 57 N -2.46 2.28 -0.06 3.49 0.40 -1.18 -5.04 117.98 115.41 1x3h s PHE 57 Ca 0.21 -0.97 -0.24 0.00 -0.60 0.00 0.00 56.93 55.33 1x3h s PHE 57 Cb -0.04 -1.56 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1x3h s PHE 57 CO 0.08 -0.42 0.72 -2.00 0.70 0.00 0.00 175.22 174.30 1x3h s GLU 58 N 0.54 4.45 -0.16 0.44 2.12 -1.26 -2.68 118.70 122.15 1x3h s GLU 58 Ca -0.15 0.92 -0.04 0.00 0.36 0.00 0.00 54.97 56.06 1x3h s GLU 58 Cb -0.17 -3.44 0.07 0.00 0.26 0.00 0.00 34.13 30.85 1x3h s GLU 58 CO 0.05 0.07 0.15 -1.17 -0.54 0.00 0.00 175.26 173.82 1x3h s LEU 59 N 0.76 0.10 -1.48 2.70 2.96 -0.93 -4.87 118.68 117.91 1x3h s LEU 59 Ca 0.38 -0.26 -0.12 0.00 -0.22 0.00 0.00 54.13 53.92 1x3h s LEU 59 Cb -0.18 0.07 0.06 0.00 0.50 0.00 0.00 46.19 46.65 1x3h s LEU 59 CO 0.19 -0.32 0.94 0.47 -1.32 0.00 0.00 176.35 176.31 1x3h n ASP 60 N 5.30 -5.14 -2.57 3.68 9.92 -1.26 -1.23 116.55 125.24 1x3h n ASP 60 Ca -0.06 -0.65 -0.18 0.00 -0.53 0.00 0.00 54.79 53.37 1x3h n ASP 60 Cb 0.49 -4.11 0.04 0.00 -0.64 0.00 0.00 41.12 36.91 1x3h n ASP 60 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x3h n GLY 61 N -1.69 -0.24 2.95 0.44 0.00 -1.26 -5.01 105.19 100.39 1x3h n GLY 61 Ca 0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1x3h n GLY 61 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x3h s ARG 62 N -5.65 0.12 0.06 1.61 1.81 -0.37 -5.13 118.95 111.40 1x3h s ARG 62 Ca 0.32 0.44 -0.31 0.00 -1.72 0.00 0.00 55.73 54.46 1x3h s ARG 62 Cb -0.14 -0.17 -0.07 0.00 -0.45 0.00 0.00 34.95 34.12 1x3h s ARG 62 CO 0.39 -0.18 1.40 -1.25 -0.68 0.00 0.00 175.30 174.98 1x3h s PRO 63 N 1.32 4.30 0.26 3.54 0.04 -1.26 -2.20 135.00 141.00 1x3h s PRO 63 Ca -0.08 2.03 0.02 0.00 0.04 0.00 0.00 61.00 63.01 1x3h s PRO 63 Cb -0.11 -3.42 -0.03 0.00 0.04 0.00 0.00 34.50 30.98 1x3h s PRO 63 CO -0.07 -0.51 0.23 -0.06 0.04 0.00 0.00 177.00 176.63 1x3h s PHE 64 N 1.77 1.37 0.23 0.56 0.08 -1.09 -2.46 117.98 118.44 1x3h s PHE 64 Ca 0.65 -1.46 0.05 0.00 0.12 0.00 0.00 56.93 56.28 1x3h s PHE 64 Cb -0.34 -0.56 -0.03 0.00 -0.57 0.00 0.00 43.02 41.51 1x3h s PHE 64 CO 0.29 -0.78 0.35 0.00 -0.10 0.00 0.00 175.22 174.98 1x3h h GLU 66 N 1.26 0.26 -0.00 0.00 4.81 -1.95 0.74 114.58 119.70 1x3h h GLU 66 Ca -0.52 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 1x3h h GLU 66 Cb 1.23 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.55 1x3h h GLU 66 CO 0.62 0.18 -0.01 1.25 -0.73 0.00 0.00 179.01 180.32 1x3h h LEU 67 N 0.27 -0.02 0.43 1.64 7.12 -2.00 -1.19 115.31 121.56 1x3h h LEU 67 Ca 0.31 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 58.30 1x3h h LEU 67 Cb 0.45 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.59 1x3h h LEU 67 CO -0.39 -0.00 -0.20 0.45 -0.13 0.00 0.00 178.44 178.16 1x3h h HIS 68 N -0.00 -0.53 -0.64 1.25 3.86 -1.93 -3.00 115.15 114.15 1x3h h HIS 68 Ca 0.00 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.36 1x3h h HIS 68 Cb 0.01 0.18 -0.12 0.00 1.06 0.00 0.00 27.41 28.53 1x3h h HIS 68 CO -0.53 -0.23 -0.02 0.98 0.86 0.00 0.00 177.93 179.00 1x3h n TYR 69 N -5.25 0.37 0.04 2.45 9.36 0.26 0.16 117.16 124.55 1x3h n TYR 69 Ca -0.11 0.77 -0.13 0.00 3.32 0.00 0.00 57.90 61.76 1x3h n TYR 69 Cb 0.29 -0.96 -0.09 0.00 -0.63 0.00 0.00 39.34 37.95 1x3h n TYR 69 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1x3h h HIS 70 N 0.00 -0.08 0.38 2.98 3.86 -1.14 -2.77 115.15 118.38 1x3h h HIS 70 Ca 0.37 -0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.57 1x3h h HIS 70 Cb 0.73 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 1x3h h HIS 70 CO -0.36 0.23 -0.49 1.25 0.86 0.00 0.00 177.93 179.42 1x3h h HIS 71 N -0.39 -1.37 -0.78 2.45 -0.00 0.17 -2.35 115.15 112.88 1x3h h HIS 71 Ca -0.01 0.02 0.13 0.00 -0.00 0.00 0.00 60.37 60.51 1x3h h HIS 71 Cb 0.34 0.55 -0.14 0.00 -0.00 0.00 0.00 27.41 28.16 1x3h h HIS 71 CO 0.03 -0.62 -0.35 0.00 -0.00 0.00 0.00 177.93 176.99 1x3h h ARG 72 N -0.90 -0.08 -0.59 5.26 3.08 -0.98 0.14 114.38 120.32 1x3h h ARG 72 Ca -0.05 0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.13 1x3h h ARG 72 Cb 0.80 0.02 -0.11 0.00 0.08 0.00 0.00 29.97 30.76 1x3h h ARG 72 CO -0.12 -0.05 -0.12 0.00 -1.07 0.00 0.00 179.97 178.61 1x3h h ARG 73 N -0.08 0.02 -6.23 0.04 3.08 -1.18 -3.37 114.38 106.64 1x3h h ARG 73 Ca 0.29 -0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.77 1x3h h ARG 73 Cb 0.58 -0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.56 1x3h h ARG 73 CO -0.82 0.01 0.84 0.20 -1.07 0.00 0.00 179.97 179.13 1x3h s GLY 74 N -3.39 1.59 -0.15 0.04 0.00 0.48 -5.02 107.32 100.86 1x3h s GLY 74 Ca -0.14 0.05 -0.08 0.00 0.00 0.00 0.00 44.72 44.55 1x3h s GLY 74 CO 0.73 2.28 0.13 -0.56 0.00 0.00 0.00 173.10 175.68 1x3h s SER 75 N 1.62 6.24 0.00 1.64 0.01 -1.26 -4.87 113.70 117.08 1x3h s SER 75 Ca 0.46 0.35 0.00 0.00 1.31 0.00 0.00 55.95 58.07 1x3h s SER 75 Cb -0.14 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.04 1x3h s SER 75 CO 0.13 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.70 1x3h n GLY 76 N 2.64 -1.94 3.32 3.44 0.00 -1.26 -4.98 105.19 106.40 1x3h n GLY 76 Ca -0.18 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.05 1x3h n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x3h n PRO 77 N -2.50 -3.04 -1.20 1.61 -0.04 -1.26 -4.92 135.00 123.65 1x3h n PRO 77 Ca 0.00 -1.66 -0.26 0.00 -0.04 0.00 0.00 63.50 61.55 1x3h n PRO 77 Cb 0.00 -1.55 0.04 0.00 -0.04 0.00 0.00 33.50 31.95 1x3h n PRO 77 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x3h n SER 78 N -4.77 6.95 -4.36 3.54 2.88 -1.26 -4.85 113.62 111.75 1x3h n SER 78 Ca 0.14 -3.38 -0.46 0.00 -1.33 0.00 0.00 58.87 53.85 1x3h n SER 78 Cb 0.56 -1.06 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 1x3h n SER 78 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1x3h s SER 79 N -0.53 6.54 0.00 -3.46 0.15 -1.26 -5.31 113.70 109.83 1x3h s SER 79 Ca 0.48 -2.19 0.00 0.00 0.70 0.00 0.00 55.95 54.94 1x3h s SER 79 Cb 0.36 -2.26 0.00 0.00 -1.71 0.00 0.00 66.02 62.41 1x3h s SER 79 CO -0.07 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.16